N-[(3-chloro-2-methoxyphenyl)methyl]-2-methoxyethanamine

C11H16ClNO2 — CID 112610577

IUPACN-[(3-chloro-2-methoxyphenyl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1cccc(Cl)c1OC
InChIInChI=1S/C11H16ClNO2/c1-14-7-6-13-8-9-4-3-5-10(12)11(9)15-2/h3-5,13H,6-8H2,1-2H3
InChIKeyITMDVKAYDOUNJH-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.08
Rot. Bonds6

About N-[(3-chloro-2-methoxyphenyl)methyl]-2-methoxyethanamine

N-[(3-chloro-2-methoxyphenyl)methyl]-2-methoxyethanamine (PubChem CID 112610577) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is N-[(3-chloro-2-methoxyphenyl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(3-chloro-2-methoxyphenyl)methyl]-2-methoxyethanamine
PubChem CID112610577
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC NameN-[(3-chloro-2-methoxyphenyl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1cccc(Cl)c1OC
InChIInChI=1S/C11H16ClNO2/c1-14-7-6-13-8-9-4-3-5-10(12)11(9)15-2/h3-5,13H,6-8H2,1-2H3
InChIKeyITMDVKAYDOUNJH-UHFFFAOYSA-N
XLogP2.08
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]acetonitrile
CID 112610606
N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 17295657
N-[(2-but-2-ynoxy-3-chlorophenyl)methyl]-2-methoxyethanamine
CID 112610592
N-[[3-chloro-2-(3,3,3-trifluoropropoxy)phenyl]methyl]-2-methoxyethanamine
CID 115954964
N-[(3-chloro-2-pentan-2-yloxyphenyl)methyl]-2-methoxyethanamine
CID 107891116
methyl 3-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]propanoate
CID 115954905
N-[[3-chloro-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 115954879
N-[[3-chloro-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 115954891
2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-ethylacetamide
CID 115954882
N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 17294438
2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-propan-2-ylacetamide
CID 115954939
3-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-ethylpropanamide
CID 115954979

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-methoxyphenyl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(3-chloro-2-methoxyphenyl)methyl]-2-methoxyethanamine (CID 112610577) is N-[(3-chloro-2-methoxyphenyl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(3-chloro-2-methoxyphenyl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(3-chloro-2-methoxyphenyl)methyl]-2-methoxyethanamine is COCCNCc1cccc(Cl)c1OC.
What is the InChIKey of N-[(3-chloro-2-methoxyphenyl)methyl]-2-methoxyethanamine?
The InChIKey is ITMDVKAYDOUNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2/c1-14-7-6-13-8-9-4-3-5-10(12)11(9)15-2/h3-5,13H,6-8H2,1-2H3.
What are the key properties of N-[(3-chloro-2-methoxyphenyl)methyl]-2-methoxyethanamine?
N-[(3-chloro-2-methoxyphenyl)methyl]-2-methoxyethanamine has a molecular weight of 229.71 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-methoxyphenyl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 112610577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).